CID 3067156

80844-02-6

Structural Information

Molecular Formula
C24H25ClO2
SMILES
CCC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H25ClO2/c1-3-24(2,20-12-14-21(25)15-13-20)18-26-17-19-8-7-11-23(16-19)27-22-9-5-4-6-10-22/h4-16H,3,17-18H2,1-2H3
InChIKey
DONNXRLQNZUMCG-UHFFFAOYSA-N
Compound name
1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

380.1543 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16158 193.9
[M+Na]+ 403.14352 200.4
[M-H]- 379.14702 202.7
[M+NH4]+ 398.18812 206.1
[M+K]+ 419.11746 193.6
[M+H-H2O]+ 363.15156 184.5
[M+HCOO]- 425.15250 210.2
[M+CH3COO]- 439.16815 218.0
[M+Na-2H]- 401.12897 197.5
[M]+ 380.15375 199.1
[M]- 380.15485 199.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe